Chemical Components in the PDB

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RI2 : Summary

Code

RI2

One-letter code

X

Molecule name

1,5-di-O-phosphono-alpha-D-ribofuranose

Synonyms

1,5-di-O-phosphono-alpha-D-ribose
1,5-di-O-phosphono-D-ribose
1,5-di-O-phosphono-ribose

Systematic names

ProgramVersionName
ACDLabs 12.01 1,5-di-O-phosphono-alpha-D-ribofuranose
OpenEye OEToolkits 1.7.0 [(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate

Formula

C5 H12 O11 P2

Formal charge

0

Molecular weight

310.09 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C1O
SMILES CACTVS 3.370 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(C1C(C(C(O1)OP(=O)(O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.370 O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

IUPAC InChI key

AAAFZMYJJHWUPN-TXICZTDVSA-N
RI2

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

RIB

Defined at

2011-01-07

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned